1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine

C15H17ClFNO — CID 105397390

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H17ClFNO/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(17)5-7-14(13)16/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyALRJHENGKJWVKM-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.36
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine (PubChem CID 105397390) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
PubChem CID105397390
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1cc(F)ccc1Cl
InChIInChI=1S/C15H17ClFNO/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(17)5-7-14(13)16/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyALRJHENGKJWVKM-UHFFFAOYSA-N
XLogP4.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
[1-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105302143
1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140541
N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanamine
CID 83178417
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242
3-(furan-2-yl)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146576

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine (CID 105397390) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine is CCNC(CCc1ccco1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The InChIKey is ALRJHENGKJWVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-2-18-15(8-6-12-4-3-9-19-12)13-10-11(17)5-7-14(13)16/h3-5,7,9-10,15,18H,2,6,8H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine has a molecular weight of 281.76 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105397390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).